diethyl 4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC)Br)OC

InChI

InChI=1S/C22H26BrNO6/c1-7-28-16-11-14(10-15(23)20(16)27-6)19-17(21(25)29-8-2)12(4)24-13(5)18(19)22(26)30-9-3/h10-11H,7-9H2,1-6H3